2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione

C19H14O3 — CID 11659297

IUPAC2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
SMILESO=C1C(=O)c2ccccc2C2=C1CCC(c1ccccc1)O2
InChIInChI=1S/C19H14O3/c20-17-13-8-4-5-9-14(13)19-15(18(17)21)10-11-16(22-19)12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyXUGUBVAGWOTZPF-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.71
Rot. Bonds1

About 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione

2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione (PubChem CID 11659297) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
PubChem CID11659297
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
SMILESO=C1C(=O)c2ccccc2C2=C1CCC(c1ccccc1)O2
InChIInChI=1S/C19H14O3/c20-17-13-8-4-5-9-14(13)19-15(18(17)21)10-11-16(22-19)12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyXUGUBVAGWOTZPF-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 3885
Dihydrotanshinone I
CID 11425923
Mansonone F
CID 94304
NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
CID 57525
3-Benzyl-4-hydroxynaphthalene-1,2-dione
CID 263529
3-Phenyl-1H-2-benzopyran-1-one
CID 334102
Q 22 2,3-Dihydro-2-(1-methylethenyl)naphtho(1,2-B)furan-4,5-dione
CID 4301570
4-Ethoxynaphthalene-1,2-dione
CID 343759
1,6-Dimethyl-1,2-Dihydronaphtho(1,2-G)(1)Benzofuran-10,11-Dione
CID 5316743
Mansonone E
CID 94303
Ethyl 2-benzoylbenzoate
CID 221768
(3R)-Dunnione, (rel)-
CID 53322969

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione (CID 11659297) is 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione is O=C1C(=O)c2ccccc2C2=C1CCC(c1ccccc1)O2.
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione?
The InChIKey is XUGUBVAGWOTZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-17-13-8-4-5-9-14(13)19-15(18(17)21)10-11-16(22-19)12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione?
2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione has a molecular weight of 290.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione is sourced from PubChem (CID 11659297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).